methyl 4-[3-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-[4-(4-chlorophenyl)-1-oxo-phthalazin-2-yl]propanoylamino]benzoate CAS Name: 4-[[3-[4-(4-chlorophenyl)-1-oxo-2-phthalazinyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanoylamino]benzoate Traditional Name: 4-[3-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]propanoylamino]benzoic acid methyl ester Formula: C25H20ClN3O4 MolecularWeight: 461.897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN3O4/c1-33-25(32)17-8-12-19(13-9-17)27-22(30)14-15-29-24(31)21-5-3-2-4-20(21)23(28-29)16-6-10-18(26)11-7-16/h2-13H,14-15H2,1H3,(H,27,30)